0 mol 1 unq 0 iso 0 dist 9.33719 9.56692 5.972 7.16224 5.74199 9.78935 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.37509 8.23769 7.05482 4.11115 9.00925 11.5028 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46207 6.96665 13.13 4.5972 6.81879 8.91255 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.07051 9.01727 7.59628 9.41878 7.11187 10.4737 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 8.07051 9.01727 7.59628 6.19687 6.60356 12.0659 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 8.25442 7.52293 7.89412 11.0509 7.9663 10.3699 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 8.25442 7.52293 7.89412 5.65698 6.54338 8.67153 numMergedOcc 0
7 mol 130 unq 2 iso 0 dist 8.25442 7.52293 7.89412 4.61946 7.47653 8.98551 numMergedOcc 0
8 mol 130 unq 3 iso 0 dist 9.57695 7.52293 5.1247 5.65698 9.39135 8.67153 numMergedOcc 0
9 mol 130 unq 4 iso 0 dist 9.57695 7.52293 5.1247 4.61946 8.97124 8.98551 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 7.09597 6.23023 5.17835 5.6726 6.33658 8.70965 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 7.19059 4.86894 5.45952 4.42628 7.64085 8.22353 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.63766 6.3102 12.3565 16.8544 9.71692 20.8727 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.7107 6.25629 12.2713 16.9387 9.73708 20.8237 numMergedOcc 0
14 mol 199 unq 0 iso 0 dist 7.91016 6.62547 6.16438 14.6089 9.88917 14.4729 numMergedOcc 0
15 mol 199 unq 1 iso 0 dist 7.21813 5.64398 6.16438 11.6262 9.88917 14.4729 numMergedOcc 0
16 mol 199 unq 2 iso 0 dist 9.74632 5.64398 10.9791 11.6262 9.56785 14.4729 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.54076 9.69953 13.4382 9.42733 6.24111 17.0685 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 9.54076 9.69953 13.4382 13.6553 9.00343 21.168 numMergedOcc 0
19 mol 210 unq 2 iso 0 dist 9.54076 9.69953 13.4382 5.87078 6.41444 12.6755 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 8.50325 9.59898 10.4745 7.68336 8.52792 15.9118 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 9.68049 9.01911 14.2012 4.06429 8.38141 11.7415 numMergedOcc 0
22 mol 250 unq 1 iso 0 dist 8.19924 9.01911 13.9274 4.06429 5.08366 11.7415 numMergedOcc 0
23 mol 250 unq 2 iso 0 dist 8.01457 9.01911 6.88928 4.06429 8.18086 11.7415 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 5.81003 9.23158 8.6263 7.5301 6.51449 12.6614 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 6.075 5.81774 7.47947 7.71145 5.76337 11.7486 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 6.075 5.81774 7.47947 3.95468 8.60441 8.73893 numMergedOcc 0
27 mol 294 unq 2 iso 0 dist 5.27696 5.81774 5.08713 7.71145 9.39625 11.7486 numMergedOcc 0
28 mol 294 unq 3 iso 0 dist 5.27696 5.81774 5.08713 3.95468 6.97558 8.73893 numMergedOcc 0
